Vitas-M small molecule compound
2-[(E)-(hydroxyimino)methyl]-3-methyl-1-[6-(trimethylammonio)hexyl]-1H-3,1-benzimidazol-3-ium
Catalog ID
STL371180
SMILES O/N=C/c1n(CCCCCC[N+](C)(C)C)c2c([n+]1C)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H30N4O MW 318.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29N4O/c1-20-16-11-7-8-12-17(16)21(18(20)15-19-23)13-9-5-6-10-14-22(2,3)4/h7-8,11-12,15H,5-6,9-10,13-14H2,1-4H3/q+1/p+1InChIKey
MPKDBOGHKOYXKP-UHFFFAOYSA-OSynonyms
2((E)(hydroxyimino)methyl)3methyl1(6(trimethylammonio)hexyl)1H31benzimidazol3ium
CN1C2=CC=CC=C2N(C1=C(NH+)=O)CCCCCC(N+)(C)(C)C
InChI=1SC18H29N4Oc1201611781217(16)21(18(20)151923)13956101422(23)4h78111215H569101314H214H3q+1p+1
ON=Cc1n(CCCCCC(N+)(C)(C)C)c2c((n+)1C)cccc2
trimethyl(6(3methyl2(oxoazaniumylmethylidene)benzimidazol1yl)hexyl)azanium
ZINC000206265636
ZINC000208027041
ZINC95115856
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